4-iodanyl-2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide

Systemtic Name: 4-iodanyl-2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide Openeye Name: 4-iodo-2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide CAS Name: 4-iodo-2-methyl-N-[1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolyl]-1H-pyrazol-2-ium-5-carboxamide IUPAC Name: 4-iodo-2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide Traditional Name: 4-iodo-2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide Formula: C18H23IN6O2+2 MolecularWeight: 482.31869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)I

Isomeric SMILES

C[N+]1=CC(=C(N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)I

InChI

InChI=1S/C18H21IN6O2/c1-23-12-13(19)16(22-23)17(26)21-18-20-14-4-2-3-5-15(14)25(18)7-6-24-8-10-27-11-9-24/h2-5,12H,6-11H2,1H3,(H,20,21,26)/p+2